#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/5/00/04/5000416.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_5000416
loop_
_publ_author_name
'Iitaka, Y.'
_publ_section_title
;
 The crystal structure of β-glycine
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica'
_journal_page_first              35
_journal_page_last               45
_journal_paper_doi               10.1107/S0365110X60000066
_journal_volume                  13
_journal_year                    1960
_chemical_formula_sum            'C2 H5 N O2'
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.2
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.077
_cell_length_b                   6.268
_cell_length_c                   5.38
_cod_duplicate_entry             5000008
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C2 H5 N1 O2'
_cod_database_code               5000416
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C 0.13780 0.05320 0.06330
C2 C 0.11450 0.07190 -0.22650
H1 H 0.54000 0.01200 -0.13500
H2 H 0.34000 -0.03100 -0.44900
H3 H 0.33700 -0.20300 -0.21600
H4 H 0.12500 0.24100 -0.27400
H5 H -0.09100 0.00800 -0.36200
N1 N 0.35220 -0.04400 -0.26190
O1 O 0.37720 0.02700 0.24200
O2 O -0.08960 0.07730 0.09700
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.20
N 0.68
O 0.68
